Keyphrases
Active Sites
22%
Alcohol
25%
Alkaline Hydrolysis
20%
Allosteric Inhibitor
20%
Aminobutyric Acid
30%
Aminotransferase
27%
Arginine Deiminase
20%
Aromatization
20%
Asparagine
26%
Asparagine Residue
20%
B3LYP
33%
Beckmann Rearrangement
20%
Benzene
25%
Binding Residues
27%
Chain of Rings
20%
Computational Study
40%
Deamidation
100%
Density Functional Theory
33%
Diisocyanate
20%
Elimination Reactions
23%
GABA-AT
44%
Gaussian Network Model
20%
HF Elimination
40%
Holo
20%
Hydrolysis
40%
Inactivation Mechanism
26%
Inactivator
20%
Isomerase
20%
Mechanistic Details
24%
Mechanistic Insight
24%
Mechanistic Studies
20%
Molecular Dynamics Simulation
66%
Molecular Mechanism
20%
Neutral Hydrolysis
20%
NH2-MIL-101(Fe)
20%
Organocatalytic
20%
Pyridoxal 5′-phosphate
26%
Pyridoxal-5′-phosphate-dependent Enzymes
60%
QM-MM
20%
Reaction Mechanism
33%
Rearrangement Reaction
20%
Reversible Isomerization
20%
Single Point
21%
Structural Fluctuation
20%
Succinimide
25%
Succinimide Derivatives
25%
Succinimide Intermediate
20%
Tautomerization
24%
Triosephosphate Isomerase
20%
Wear-and-Tear
20%
Chemistry
acidity
10%
Addition Reaction
20%
Alkene
20%
Amino Acid
20%
Asparagine
40%
Aspartate
20%
Aspartic Acid
20%
Barrier of Internal Rotation
20%
Base
8%
Beckmann Rearrangement
20%
Benzene
20%
Bismuth
20%
Condensation
20%
Cycloaddition
20%
Cyclohexanone
20%
cyclopropanation
20%
Cyclopropenone
20%
Density Functional Theory
38%
Density Functional Theory Study
7%
DFT-B3LYP Calculation
53%
Electron Density
20%
electronics
23%
Enantiomer
21%
Energy Barrier
21%
Enzymatic Hydrolysis
60%
Fluorine
11%
Fluorine Atom
10%
formation
26%
Free Energy
10%
Gamma-Aminobutyric Acid
60%
Heterocyclic Compound
11%
Indole
20%
Isomerization
20%
Mechanistic Study
20%
NMR Spectroscopy
20%
Organocatalysis
20%
Oxazolidinone
8%
Pentapeptide
20%
Phenyl Group
6%
Product Distribution
10%
Proton Transfer
12%
Pyridoxal
36%
Reaction Activation Energy
37%
Rhodanine
20%
Rhodium
6%
Rotational Barrier
10%
Steric Effect
13%
Succinimide
60%
Tautomerization
25%
Transition State
20%
